3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid

Systemtic Name: 3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 3-[[4-(1-butyl-3-pyrrolo[2,3-b]pyridinyl)-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1N=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4OC)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=C1N=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4OC)C(=O)O

InChI

InChI=1S/C25H31N3O3/c1-3-4-13-28-17-22(20-9-6-12-26-24(20)28)18-10-14-27(15-11-18)16-19-7-5-8-21(25(29)30)23(19)31-2/h5-9,12,17-18H,3-4,10-11,13-16H2,1-2H3,(H,29,30)